1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one

C20H19NO4 — CID 155282498

IUPAC1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one
SMILESO=C(CCN1CCC(=O)c2ccccc21)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H19NO4/c22-17(14-5-6-19-20(13-14)25-12-11-24-19)7-9-21-10-8-18(23)15-3-1-2-4-16(15)21/h1-6,13H,7-12H2
InChIKeyFNCRRSKZAFVRQA-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.12
Rot. Bonds4

About 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one

1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one (PubChem CID 155282498) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one
PubChem CID155282498
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one
SMILESO=C(CCN1CCC(=O)c2ccccc21)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H19NO4/c22-17(14-5-6-19-20(13-14)25-12-11-24-19)7-9-21-10-8-18(23)15-3-1-2-4-16(15)21/h1-6,13H,7-12H2
InChIKeyFNCRRSKZAFVRQA-UHFFFAOYSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 6603016
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 155282412
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
6-(3-isoindol-2-ylpropanoyl)-2,3-dihydrochromen-4-one
CID 155273056
1-(1,3-benzodioxol-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone;2,3-dihydro-1,4-benzodioxin-6-yl(1,3-dihydroisoindol-2-yl)methanone;1-(2,3-dihydro-1-benzofuran-5-yl)-3-(1,3-dihydroisoindol-2-yl)propan-1-one;6-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-2,3-dihydrochromen-4-one
CID 164955476
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 667446
(1,3-dioxoisoindol-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
CID 9111775
3-(5-amino-1,3-dihydroisoindol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
CID 155273037
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propan-1-one
CID 3553494
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-one
CID 62789419
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
CID 4102149
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 47005588

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one (CID 155282498) is 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one is O=C(CCN1CCC(=O)c2ccccc21)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one?
The InChIKey is FNCRRSKZAFVRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-17(14-5-6-19-20(13-14)25-12-11-24-19)7-9-21-10-8-18(23)15-3-1-2-4-16(15)21/h1-6,13H,7-12H2.
What are the key properties of 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one?
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one has a molecular weight of 337.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 155282498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).